G864-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G864-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G864-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0254
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G864-0254

Molecular Formula

C22H16ClF3N4O2S (C22 H16 ClF3 N4 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

C=CCN(C1=O)C(SCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C22H16ClF3N4O2S/c1-2-9-30-20(32)19-18(13-5-3-4-6-15(13)28-19)29-21(30)33-11-17(31)27-16-10-12(22(24,25)26)7-8-14(16)23/h2-8,10,28H,1,9,11H2,(H,27,31)

InChI Key

VYGGQCIBLCGMDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-5.05

Polar Surface Area

56.431

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G864-0254 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G864-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0254?
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What is the minimum amount of G864-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0254
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G864-0254 available by request